4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride

C24H29ClN4O — CID 122185531

IUPAC4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H
InChIKeyPFASXTGIKQFHMF-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.44
Rot. Bonds6

About 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride

4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride (PubChem CID 122185531) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride
PubChem CID122185531
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H
InChIKeyPFASXTGIKQFHMF-UHFFFAOYSA-N
XLogP4.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride (CID 122185531) is 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride is CN(C)c1ccc(C(=O)NCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride?
The InChIKey is PFASXTGIKQFHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H.
What are the key properties of 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride?
4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 122185531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).